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Compound Detail

CHEMBL1179478

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CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179478
Phase Preclinical
Structure Type MOL
InChI Key KAPQCQSLIQQMQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

606.8
MW (Da)
4.94
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N5O4S3+
MW 606.78
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine